(2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide

C12H14BrN3O2S — CID 125419036

IUPAC(2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide
SMILESN#CCNC(=O)[C@@H](c1cc(Br)cs1)N1CCOCC1
InChIInChI=1S/C12H14BrN3O2S/c13-9-7-10(19-8-9)11(12(17)15-2-1-14)16-3-5-18-6-4-16/h7-8,11H,2-6H2,(H,15,17)/t11-/m1/s1
InChIKeyVWLJHFAUVKTGFG-LLVKDONJSA-N
MW344.23 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide

(2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide (PubChem CID 125419036) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide
PubChem CID125419036
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name(2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide
SMILESN#CCNC(=O)[C@@H](c1cc(Br)cs1)N1CCOCC1
InChIInChI=1S/C12H14BrN3O2S/c13-9-7-10(19-8-9)11(12(17)15-2-1-14)16-3-5-18-6-4-16/h7-8,11H,2-6H2,(H,15,17)/t11-/m1/s1
InChIKeyVWLJHFAUVKTGFG-LLVKDONJSA-N
XLogP1.52
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
CID 54595982
methyl 2-(4-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetate
CID 116860487
N-(cyanomethyl)-3-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-2-pyridin-4-ylacetyl)amino]propanamide
CID 75183280
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71998621
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide
CID 55884860
4-[2-amino-1-(4-bromothiophen-2-yl)propyl]morpholine-2-carbonitrile
CID 79674686
N-[1-(4-bromothiophen-2-yl)ethyl]-4-morpholin-4-ylaniline
CID 107167664
4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
CID 84608477
methyl 2-(4-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 61345410
N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119630100
4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
CID 119352757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide?
The IUPAC name of (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide (CID 125419036) is (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide is N#CCNC(=O)[C@@H](c1cc(Br)cs1)N1CCOCC1.
What is the InChIKey of (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide?
The InChIKey is VWLJHFAUVKTGFG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c13-9-7-10(19-8-9)11(12(17)15-2-1-14)16-3-5-18-6-4-16/h7-8,11H,2-6H2,(H,15,17)/t11-/m1/s1.
What are the key properties of (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide?
(2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide has a molecular weight of 344.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 125419036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).